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At least 163 records · Page 9

Weak magnetic field-dependent photoluminescence properties of lead bromide perovskites

The strong spin–orbit coupling (SOC) in lead halide perovskites, when inversion symmetry is lifted, has provided opportunities for investigating the Rashba effect in these systems. Moreover, the strong orbital moment, which, in turn, impacts the spin-pair in singlet and triplet electronic states, plays a significant role in enhancing the optoelectronic properties in the presence of external magnetic fields in lead halide perovskites. Here, we investigate the effect of weak magnetic fields (<1 T) on the photoluminescence (PL) properties of CsPbBr 3 nanocrystals with and without Ruddlesden–Popper (RP) faults and single crystals of CH 3 NH 3 PbBr 3 . Along with an enhancement in the PL intensity as a function of an external magnetic field, which is observed in both lead bromide perovskites, the PL emission red-shifts in CsPbBr 3 nanocrystals. Density-functional theory calculations of the electronic band-edge in CsPbBr 3 show almost no change in the energy gap as a function of the external magnetic field. The experimental results, thus, suggest the role of mixing of the triplet and singlet excitonic states under weak magnetic fields. This is further deduced from an enhancement in PL lifetimes as a function of the field in CsPbBr 3 ⁠. In CH 3 NH 3 PbBr 3⁠ , an increase in PL intensity is observed under weak magnetic fields; however, no changes in the peak energy or PL lifetimes are observed. The internal magnetic fields due to SOC are characterized for all three samples and found to be the highest for CsPbBr 3 nanocrystals with RP faults.

36 MATERIALS SCIENCE↗

A first-principles investigation of point defect structure and energetics in ThO 2

The structure and energetics of charged point defects in thorium dioxide (ThO 2 ) have been investigated using the density functional theory (DFT) and phonon simulations. DFT simulations were performed under both zero-pressure and constant volume conditions. Termed as the free volume change of the point defects, the change in volume of the supercell has been computed in the zero-pressure case. Supercell expansion was observed with the increase of the (nominal) charge state of anion (O) interstitials and cation (Th) vacancies from neutral to its maximum. On the contrary, contraction of the supercell has been observed with anion vacancies and cation interstitials as the defect charge increases. The supercell volume change with respect to the charge state has been correlated with the resulting defect energetics. It has been observed that, as the defect charge increased, the internal energy and entropy of defect formation of the cation vacancies and anion interstitials were found to increase, while that of the cation interstitials and anion vacancies decreased. Here, the temperature dependence of internal energy and entropy has also been examined. It was found that, as the temperature increases, the internal energies of the formation of cation vacancies and anion interstitials decrease, while those of the cation interstitials and anion vacancies increase. An opposite observation is seen for the entropies of formation defects when above room temperatures.

42 ENGINEERING↗

Theory of topological exciton insulators and condensates in flat Chern bands

Excitons are the neutral quasiparticles that form when Coulomb interactions create bound states between electrons and holes. Due to their bosonic nature, excitons are expected to condense and exhibit superfluidity at sufficiently low temperatures. In interacting Chern insulators, excitons may inherit the nontrivial topology and quantum geometry from the underlying electron wavefunctions. We theoretically investigate the excitonic bound states and superfluidity in flat-band insulators pumped with light. We find that the exciton wavefunctions exhibit vortex structures in momentum space, with the total vorticity being equal to the difference of Chern numbers between the conduction and valence bands. Moreover, both the exciton binding energy and the exciton superfluid density are proportional to the Brillouin-zone average of the quantum metric and the Coulomb potential energy per unit cell. Spontaneous emission of circularly polarized light from radiative decay is a detectable signature of the exciton vorticity. We propose that the vorticity can also be experimentally measured via the nonlinear anomalous Hall effect, whereas the exciton superfluidity can be detected by voltage-drop quantization through a combination of quantum geometry and Aharonov–Casher effect. Topological excitons and their superfluid phase could be realized in flat bands of twisted Van der Waals heterostructures.

Science & Technology - Other Topics↗

Effective field theories for collective excitations of atomic nuclei

Collective modes emerge as the relevant degrees of freedom that govern low-energy excitations of atomic nuclei. These modes—rotations, pairing rotations, and vibrations—are separated in energy from non-collective excitations, making it possible to describe them in the framework of effective field theory. Rotations and pairing rotations are the remnants of Nambu–Goldstone modes from the emergent breaking of rotational symmetry and phase symmetries in finite deformed and finite superfluid nuclei, respectively. The symmetry breaking severely constrains the structure of low-energy Lagrangians and thereby clarifies what is essential and simplifies the description. The approach via effective field theories exposes the essence of nuclear collective excitations and is defined with a breakdown scale in mind. This permits one to make systematic improvements and to estimate and quantify uncertainties. Effective field theories of collective excitations have been used to compute spectra, transition rates, and other matrix elements of interest. In particular, predictions of the nuclear matrix element for neutrinoless double beta decay then come with quantified uncertainties. This review summarizes these results and also compares the approach via effective field theories to well-known models and ab initio computations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Electronic states dressed by an out-of-plane supermodulation in the quasi-two-dimensional kagome superconductor CsV 3 Sb 5

CsV 3 Sb 5 has attracted much recent attention as the first quasi-two-dimensional (2D) kagome superconductor. While the kagome layers are 2D in nature, increasing evidence has pointed to the importance of out-of-plane correlation in this material. However, it remains unclear whether such correlation can change the fundamental electronic structure of the quasi-2D system. Here, we reveal this missing piece of information, using angle-resolved photoemission spectroscopy, complemented by scanning tunneling microscope measurements. The three-dimensional electronic structures in the high-temperature state are revealed, which agree well with density-functional theory calculations. Electron energy bands are observed in the low-temperature state that exhibit additional periodicities along the out-of-plane momentum. Furthermore, these results reveal a direct response to the out-of-plane electronic supermodulation in the single-particle spectral function of CsV 3 Sb 5 , thus establishing an electronic platform to examine emergent phenomena beyond 2D limit in kagome superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High-pressure structural behavior of silicon telluride Si2Te3 nanoplates

The high-pressure behavior of silicon telluride (Si2Te3), a two-dimensional (2D) layered material, was investigated using synchrotron x-ray powder diffraction in a diamond anvil cell to 11.5GPa coupled with first-principles theory. Si2Te3 undergoes a phase transition at <1GPa from a trigonal to a hexagonal crystal structure. At higher pressures (>8.5GPa), x-ray diffraction showed the appearance of new peaks possibly coincident with a new phase transition, though we suspect Si2Te3 retains a hexagonal structure. Density functional theory calculations of the band structure reveal metallization above 9.1GPa consistent with previous measurements of the Raman spectra and disappearance of color and transparency at pressure. The theoretical Raman spectra reproduce the prominent features of the experiment, though a deeper analysis suggests that the orientation of Si dimers dramatically influences the vibrational response. Given the complex structure of Si2Te3, simulation of the resulting high-pressure phase is complicated by disordered vacancies and the initial orientations of Si–Si dimers in the crushed layered phase.

Li, Bohan↗

Distinguishing erbium dopants in Y 2 O 3 by site symmetry: Ab initio theory of two spin-photon interfaces

Here, we present a first-principles study of the defect formation and electronic structure of erbium (Er)–doped yttria (Y 2 O 3 ). This is an emerging material for spin-photon interfaces in quantum information science due to the narrow-linewidth optical emission from Er dopants at standard telecommunication wavelengths and their potential for quantum memories and transducers. We calculate formation energies of neutral and negatively and positively charged Er dopants and find the charge-neutral configuration to be the most stable, consistent with experiment. Of the two substitutional sites of Er for Y, the C 2 (more relevant for quantum memories) and C 3i (more relevant for quantum transduction), we identify the former as possessing the lowest formation energy. The electronic properties are calculated using the Perdew-Burke-Ernzerhof functional along with the Hubbard U parameter and spin-orbit coupling, which yields a ~ 6 μ B orbital and a ~ 3 μ B spin magnetic moment, and 11 electrons in the Er 4 f shell, confirming the formation of charge-neutral Er 3+ . This standard density functional theory approach underestimates the band gap of the host and lacks a first-principles justification for U . To overcome these issues we performed screened hybrid functional calculations, including a negative U for the 4 f orbitals, with mixing (α) and screening (w) parameters. These produced robust electronic features with slight modifications in the band gap and the 4 f splittings depending on the choice of tuning parameters. We also computed the many-particle electronic excitation energies and compared them with experimental values from photoluminescence.

36 MATERIALS SCIENCE↗

Light transport with weak angular dependence in fog

Random scattering and absorption of light by tiny particles in aerosols, like fog, reduce situational awareness and cause unacceptable down-time for critical systems or operations. Computationally efficient light transport models are desired for computational imaging to improve remote sensing capabilities in degraded optical environments. To this end, we have developed a model based on a weak angular dependence approximation to the Boltzmann or radiative transfer equation that appears to be applicable in both the moderate and highly scattering regimes, thereby covering the applicability domain of both the small angle and diffusion approximations. An analytic solution was derived and validated using experimental data acquired at the Sandia National Laboratory Fog Chamber facility. The evolution of the fog particle density and size distribution were measured and used to determine macroscopic absorption and scattering properties using Mie theory. A three-band (0.532, 1.55, and 9.68 µ m) transmissometer with lock-in amplifiers enabled changes in fog density of over an order of magnitude to be measured due to the increased transmission at higher wavelengths, covering both the moderate and highly scattering regimes. The meteorological optical range parameter is shown to be about 0.6 times the transport mean free path length, suggesting an improved physical interpretation of this parameter.

74 ATOMIC AND MOLECULAR PHYSICS↗

Simulation of emergent compaction banding fronts caused by frictional boundaries

This study examines the role of boundary friction in promoting heterogeneous compaction in soft rock specimens loaded at high confining pressure outside the domain of compaction localisation. An elastoplastic constitutive model characterised by tunable hardening/softening behaviour is used to conduct the analyses. Finite-element simulations suggest that material instability is a non-necessary condition for the emergence of compaction fronts. Such fronts propagated as a result of a severe deviation in the local responses induced by frictional constraints. Overall, these findings suggest that boundary effects can bias the assessment of the extent of the compaction localisation domain. Experimental countermeasures and informed model calibration procedures are therefore necessary to minimise such bias and enable more accurate predictions of soft rock compaction.

42 ENGINEERING↗

On Jupiter's whistler emission

A theory explaining Jupiter's banded whistler emission, in particular low-frequency hiss and chorus, is proposed. It is shown that superthermal electrons described by a kappa distribution function cause whistler instability below one-third of the electron gyrofrequency, whereas a two temperature Maxwellian leads to a band of unstable growing modes just below one-half of the electron gyrofrequency. A superposition of both yields almost exactly the structure of whistler mode hiss and chorus detected by the Voyager 1 and 2 plasma wave instrument.

Leubner, M. P.↗

Differential absorption lidar technique for measurement of the atmospheric pressure profile

A new two-wavelength lidar technique for remotely measuring the pressure profile using the trough absorption region between two strong lines in the oxygen A band is described. The theory of integrated vertical path, differential ranging, and horizontal-path pressure measurements is given, with methods to desensitize and correct for temperature effects. The properties of absorption troughs are described and shown to reduce errors due to laser frequency jitter by up to two orders of magnitude. A general analysis, including laser bandwidth effects, demonstrates that pressure measurements with an integrated-vertical-path technique are typically fifty times more accurate than with a differential ranging technique. Simulations show 0.1-0.3 percent accuracy for ground and Shuttle-based pressure-profile and surface-pressure experiments.

Korb, C. L.↗

Experimental determination of the dominant wave mode in the active near-earth magnetotail

Measurements of the low frequency (2-128 Hz) electric field in the plasma sheet at approximately 19 earth radii during a substorm period obtained from the burst mode on the spherical double probe on the ISEE-1 satellite are examined. The data are analyzed to determine the frequencies and wave-lengths of the waves. It is detected that the observed frequencies correlate well with lower hybrid frequencies, the spectra have narrow peaks, and waves are present from the high latitude plasma sheet boundary to the neutral sheet. The observations are compared with theories of broad-band electrostatic waves. The data reveal that lower hybrid drift waves become unstable when the plasma sheet thins prior to substorm onset.

Cattell, C. A.↗

The Composition of Planetesimal 5145 Pholus

We present a new spectrum of 5145 Pholus between 1.15 and 2.4 microns. We model this, and the previously published (0.4-1.0 microns) spectrum, using Hapke scattering theory. The 2.04 micron band of H2O ice is seen in absorption, as well as a strong band at 2.27 Am, interpreted as frozen methanol and/or the methanol photo product hexamethylenetetramine (HMT). The presence of small molecules is indicative of a chemically primitive surface, since heating removes the light hydrocarbons in favor of macromolecular carbon typically found in carbonaceous meteorites. The unusually red slope of Pholus' spectrum is matched by fine grains of Titan tholin, as found previously. Object 1993 HA2, which has an orbit similar to that of 5145 Pholus, is similarly red, but there are as yet no observations of absorption bands in its spectrum. We present a model for the composite spectrum of all spectroscopic and photometric data available for 5145 Pholus and conclude that this is a primitive object which has yet to be substantially processed by solar heat.

Cruikshank, D. P.↗

Evaluation of Standard Gear Metrics in Helicopter Flight Operation

Each false alarm made by a machine monitoring system carries a high price tag. The machine must be taken out of service, thoroughly inspected with possible disassembly, and then made ready for service. Loss of use of the machine and the efforts to inspect it are costly. In addition, if a monitoring system is prone to false alarms, the system will soon be turned off or ignored. For aircraft applications, one growing concern is that the dynamic flight environment differs from the laboratory environment where fault detection methods are developed and tested. Vibration measurements made in flight are less stationary than those made in a laboratory, or test facility, and thus a given fault detection method may produce more false alarms in flight than might be anticipated. In 1977. Stewart introduced several metrics, including FM0 and FM4, for evaluating the health of a gear. These metrics are single valued functions of the vibration signal that indicate if the signal deviates from an ideal model of the signal. FM0 is a measure of the ratio of the peak-to-peak level to the harmonic energy in the signal. FM4 is the kurtosis of the signal with the gear mesh harmonics and first order side bands removed. The underlying theory is that a vibration signal from a gear in good condition is expected to be dominated by a periodic signal at the gear mesh frequency. If one or a small number of gear teeth contain damage or faults, the signal will change, possibly showing increased amplitude, local phase changes or both near the damaged region of the gear. FM0 increases if a signal contains a local increase in amplitude. FM4 increases if a signal contains a local increase in amplitude or local phase change in a periodic signal. Over the years, other single value metrics were also introduced to detect the onset and growth of damage in gears. These various metrics have detected faults in several gear tests in experimental test rigs. Conditions in these tests have been steady state in the sense that the rpm, torque and forces on the gear have been held steady. For gears used in a dynamic environment such as that occurring in aircraft, the rpm, torque and forces on the gear are constantly changing. The authors have measured significant variation in rpm and torque in the transmissions of helicopters in controlled steady flight conditions flown by highly proficient test pilots. Statistical analyses of the data taken in flight show significant nonstationarity in the vibration measurements. These deviations from stationarity may increase false alarms in gear monitoring during aircraft flight. In the proposed paper, the authors will study vibration measurements made in flight on an AH- 1 Cobra and an OH-58C Kiowa helicopters. The primary focus will be the development of a methodology to assess the impact of nonstationarity on false alarms. Issues to be addressed include how time synchronous averages are constructed from raw data as well as how lack of stationarity effects the behavior of single value metrics. Emphasis will be placed on the occurrence of false alarms with the use of standard metrics. In order to maintain an acceptable level of false alarms in the flight environment, this study will also address the determination of appropriate threshold levels, which may need to be higher than for test rigs.

Mosher, M.↗

A Detailed Radio Study of the Energetic, Nearby, and Puzzling GRB 171010A

We present the results of an intensive multi-epoch radio frequency campaign on the energetic and nearby GRB 171010A with the Karl G. Janksy Very Large Array and Arcminute Microkelvin Imager Large Array. We began observing GRB 171010A a day after its initial detection, and were able to monitor the temporal and spectral evolution of the source over the following weeks. The spectra and their evolution are compared to the canonical theories for broad-band GRB afterglows, with which we find a general agreement. There are, however, a number of features that are challenging to explain with a simple forward shock model, and we discuss possible reasons for these discrepancies. This includes the consideration of the existence of a reverse shock component, potential microphysical parameter evolution, and the effect of scintillation.

J. S. Bright↗

$\testit{d}$-wave superconductivity and Bogoliubov-Fermi surfaces in Rarita-Schwinger-Weyl semimetals

In this work, we uncover the properties of complex tensor ($\textit{d}$-wave) superconducting order in three-dimensional Rarita-Schwinger-Weyl semimetals that host pseudospin-$\frac{3}{2}$ fermions at a fourfold linear band-crossing point. Although the general theory of $\textit{d}$-wave order was originally developed for materials displaying quadratic band touching, it directly applies to the case of semimetals with linear dispersion, several candidate compounds of which have been discovered experimentally very recently. The spin-$\frac{3}{2}$ nature of the fermions allows for the formation of spin-2 Cooper pairs which may be described by a complex second-rank tensor order parameter. In the case of linear dispersion, for the chemical potential at the Fermi point and at strong coupling, the energetically preferred superconducting state is the uniaxial nematic state, which preserves time-reversal symmetry and provides a full (anisotropic) gap for quasiparticle excitations. In contrast, at a finite chemical potential, we find that the usual weak-coupling instability is toward the “cyclic state,” well known from the studies of multicomponent Bose-Einstein condensates, which breaks time-reversal symmetry maximally, has vanishing average value of angular momentum, and features 16 small Bogoliubov-Fermi surfaces. The Rarita-Schwinger-Weyl semimetals provide therefore the first example of weakly coupled, three-dimensional, isotropic $\textit{d}$-wave superconductors where the $\textit{d}$-wave superconducting phase is uniquely selected by the quartic expansion of the mean-field free energy, and is not afflicted by the accidental degeneracy first noticed by Mermin over 40 years ago. We discuss the appearance and stability of the Bogoliubov-Fermi surfaces in absence of inversion symmetry in the electronic Hamiltonian, as in the case at hand.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dual-band reactively loaded microstrip antenna

A previously derived theory is applied to a microstrip antenna with a reactive load to produce a dual-band radiator. A model consisting of a rectangular patch radiator loaded with a variable length short-circuited coaxial stub was investigated experimentally. Comparisons of theoretical predictions and experimental data are made for the impedance and resonant frequencies as a function of the position of the load, the length of the stub, and the characteristic impedance of the stub.

Richards, W. F.↗

Theory of the water vapor continuum and validations

A far-wing line shape theory based on the binary collision and quasistatic approximations that is applicable for both the low- and high-frequency wings of the vibration-rotational bands has been developed. This theory has been applied in order to calculate the frequency and temperature dependence of the continuous absorption coefficient for frequencies up to 10,000 cm(exp -1) for pure H2O and for H2O-N2 mixtures. The calculations were made assuming an interaction potential consisting of an isotropic Lennard-Jones part with two parameters that are consistent with values obtained from other data, and the leading long-range anisotropic part, together with the measured line strengths and transition frequencies. The results, obtained without the introduction of adjustable parameters, compare well with the existing laboratory data, both in magnitude and in temperature dependence. This leads us to the conclusion that the water continuum can be explained in terms of far-wing absorption. Current work in progress to extend the theory and to validate the theoretically calculated continuum will be discussed briefly.

Tipping, Richard H.↗